Spektraris NMR
Briarellin H
Common Name: Briarellin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O7/c1-6-7-8-9-10-11-22(30)34-21-13-12-16(2)14-19-24-23-18(15-20(29)27(24,4)32)17(3)26(31)35-28(21,5)25(23)33-19/h12,17-21,23-25,29,32H,6-11,13-15H2,1-5H3/b16-12+/t17-,18+,19+,20-,21-,23+,24+,25+,27+,28+/m1/s1
InChIKey: InChIKey=VQYWSYRWDGPYHG-LFLNSULPSA-N
Formula: C28H44O7
Molecular Weight: 492.645833
Exact Mass: 492.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Cobar, O.M. Chem Pharm Bull (1995) 43, 1853-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 39.43 |
| 2 (CH) | 87.13 |
| 3 (C) | 76.88 |
| 4 (CH) | 73.79 |
| 5 (CH2) | 28.59 |
| 6 (CH) | 123.53 |
| 7 (C) | 131.55 |
| 8 (CH2) | 43.97 |
| 9 (CH) | 78.7 |
| 10 (CH) | 50.59 |
| 11 (C) | 72.17 |
| 12 (CH) | 83.55 |
| 13 (CH2) | 19.68 |
| 14 (CH) | 31.15 |
| 15 (CH) | 43.94 |
| 16 (C) | 174.25 |
| 17 (CH3) | 19.43 |
| 18 (CH3) | 22.41 |
| 19 (CH3) | 19.15 |
| 20 (CH3) | 21.76 |
| 4a (C) | 173.15 |
| 4b (CH2) | 34.59 |
| 4c (CH2) | 24.98 |
| 4d (CH2) | 29.02 |
| 4e (CH2) | 28.87 |
| 4f (CH2) | 31.61 |
| 4g (CH2) | 22.55 |
| 4h (CH3) | 14.03 |
